SCHEMBL11616435

SCHEMBL11616435

C#CCn1c(C(=O)O)cc(=O)c2cc(O)c(=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.37
▸ ABCB11 O95342 2/20 0.36
▸ GPR35 Q9HC97 5/20 0.34
▸ CCR2 P41597 4/20 0.33
▸ FAAH O00519 2/20 0.32
▸ MGLL Q99685 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ PADI4 Q9UM07 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11615779 0.83 KDM4E (0.45) PKMKDM4EPOLBABCB11GPR35
SCHEMBL11616083 0.82 POLB (0.43) PKMKDM4EPOLBMAPTCCR2
SCHEMBL11618317 0.80 POLB (0.49) PKMKDM4EPOLBMAPTABCB11
SCHEMBL11613152 0.78 FABP4 (0.47) PKMKDM4EPOLBABCB11
SCHEMBL11621960 0.78 POLB (0.42) PKMKDM4EPOLBABCB11GPR35
SCHEMBL11613651 0.77 KDM4E (0.46) PKMKDM4EPOLBABCB11GPR35
SCHEMBL11613646 0.77 KDM4E (0.46) PKMKDM4EPOLBABCB11GPR35
SCHEMBL11617064 0.75 GPR35 (0.49) PKMKDM4EPOLBMAPTGPR35
SCHEMBL7425362 0.69 CCR2 (0.63) POLBGPR35CCR2MEN1KMT2A
SCHEMBL9613230 0.69 GPR35 (0.48) POLBABCB11GPR35CCR2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 — — US disclosed
Send feedback